1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid

C20H23NO4 — CID 118779854

IUPAC1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)NC3(C(=O)O)CCCC3)ccc2c1
InChIInChI=1S/C20H23NO4/c1-13(18(22)21-20(19(23)24)9-3-4-10-20)14-5-6-16-12-17(25-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyUXHYMYPKQLRJFK-ZDUSSCGKSA-N
MW341.41 g/mol
LogP3.47
Rot. Bonds5

About 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid

1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 118779854) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID118779854
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)NC3(C(=O)O)CCCC3)ccc2c1
InChIInChI=1S/C20H23NO4/c1-13(18(22)21-20(19(23)24)9-3-4-10-20)14-5-6-16-12-17(25-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyUXHYMYPKQLRJFK-ZDUSSCGKSA-N
XLogP3.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 22112040
4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 22111951
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
CID 22327445
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid (CID 118779854) is 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid is COc1ccc2cc([C@H](C)C(=O)NC3(C(=O)O)CCCC3)ccc2c1.
What is the InChIKey of 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is UXHYMYPKQLRJFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(18(22)21-20(19(23)24)9-3-4-10-20)14-5-6-16-12-17(25-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,24)/t13-/m0/s1.
What are the key properties of 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid?
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 118779854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).